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Compound Detail

CHEMBL5184712

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O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1CCCN1CCN(c2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5184712
Phase Preclinical
Structure Type MOL
InChI Key IUZZTTWOAOHULY-QFIPXVFZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.0
MW (Da)
4.23
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29ClFN3O2S
MW 466.02
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.88

Activity Summary

Ki 1 meas. best 9.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
 Ki 9.49 9.49 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 7 Ki = 0.32 nM 9.49 Binding affinity to human recombinant 5-HT7 receptor expressed in CHO cells asse... 35939391

Literature References

PubMed DOI Target Context # Activities
35939391 10.1021/acs.jmedchem.2c00633 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine